N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C26H21FN4O3 — CID 56643903

IUPACN-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)[C@H](Cc1cccnc1)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H21FN4O3/c27-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)22-4-1-5-23(30-22)26(33)31-24(25(28)32)15-17-3-2-14-29-16-17/h1-14,16,24H,15H2,(H2,28,32)(H,31,33)/t24-/m0/s1
InChIKeyJQVIXIUTJYSAKD-DEOSSOPVSA-N
MW456.48 g/mol
LogP3.90
Rot. Bonds8

About N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56643903) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56643903
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC NameN-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)[C@H](Cc1cccnc1)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H21FN4O3/c27-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)22-4-1-5-23(30-22)26(33)31-24(25(28)32)15-17-3-2-14-29-16-17/h1-14,16,24H,15H2,(H2,28,32)(H,31,33)/t24-/m0/s1
InChIKeyJQVIXIUTJYSAKD-DEOSSOPVSA-N
XLogP3.90
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56643903) is N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)[C@H](Cc1cccnc1)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is JQVIXIUTJYSAKD-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H21FN4O3/c27-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)22-4-1-5-23(30-22)26(33)31-24(25(28)32)15-17-3-2-14-29-16-17/h1-14,16,24H,15H2,(H2,28,32)(H,31,33)/t24-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56643903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).